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Details of Acetic acid, 4-chlorophenyl-

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Role	Metabolite
MPIMP ID	M000939
stereoisomer
isotopomer	ambient
formula	C8H7ClO2
molecular mass	170.593
monoisotopic mass	170.01346
InChI	InChI=1S/C8H7ClO2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11)
InChIKey	CDPKJZJVTHSESZ-UHFFFAOYSA-N
class
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Metabolite(guid%2767ef95c4-f494-4586-880f-393bcd1f8f3d%27)

Synonyms of Acetic acid, 4-chlorophenyl-

property	value
BRENDA	26483
CAS	1878-66-6
ChEBI ID	ChEBI:30749
ChEBI ontology	has functional parent acetic acid
ChEBI ontology	has role metabolite
ChEBI ontology	is a monocarboxylic acid
ChEBI ontology	is a organochlorine compound
ChEBI ontology	is conjugate acid of 4-chlorophenylacetate
ChemSpider ID	15093
PubChem CID	15880
17 synonym(s)
Page of 2 Results per page:

Derivatives of Acetic acid, 4-chlorophenyl-

analyte	stereoisomer	isotopomer
Acetic acid, 4-chlorophenyl- (1TMS)		ambient
1 analyte(s)

Reference substances of Acetic acid, 4-chlorophenyl-

reference substance	supplier	supplier code	lot
Acetic acid, 4-chlorophenyl-	Sigma	139262	07612TB434
1 reference substance(s)

Isotopomers and stereoisomers of Acetic acid, 4-chlorophenyl-

metabolite	stereoisomer	isotopomer
no hits!

Quantitative Acetic acid, 4-chlorophenyl- Profile Data

Each graph visualises metabolite concentrations across a single metabolite profiling experiment. Each box plot represents relative (normalised) metabolite concentrations for single replica groups in the specific metabolite profiling experiment.

Name	Organism	Factor	Heatmap	Box plot	Variance	Anova F score
no metabolite profile(s) found.

Qualitative Acetic acid, 4-chlorophenyl- Profile Data

species
no qualitative metabolite profile data available!

compound timestamp information
deposited	at 4/14/2009 by Strehmel N., Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), Am Muehlenberg 1, D-14476 Golm, Germany
last changed	at 5/21/2012 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
modified by users	Strehmel N., Hummel J.

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